Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 4157   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54605 (1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...) Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54662 (4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H18BrN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54644 (4-[3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-pyraz...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(OC)c1 |c:11| Show InChI InChI=1S/C23H23N3O4S/c1-29-19-10-6-16(7-11-19)23-15-22(17-4-3-5-20(14-17)30-2)25-26(23)18-8-12-21(13-9-18)31(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54639 (4-[3-(3-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Br)c1 |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54656 (4-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihy...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:11| Show InChI InChI=1S/C23H23N3O3S/c1-16-3-5-17(6-4-16)22-15-23(18-7-11-20(29-2)12-8-18)26(25-22)19-9-13-21(14-10-19)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54640 (4-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-di...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54645 (4-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]benze...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)cc1 |c:11| Show InChI InChI=1S/C23H23N3O4S/c1-29-19-9-3-16(4-10-19)22-15-23(17-5-11-20(30-2)12-6-17)26(25-22)18-7-13-21(14-8-18)31(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54641 (4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54664 (4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54636 (4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1F |c:11| Show InChI InChI=1S/C22H20FN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54635 (4-[3-(3-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(F)c1 |c:11| Show InChI InChI=1S/C22H20FN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54659 (4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydro...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11| Show InChI InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54643 (4-[3-(4-Bromo-phenyl)-5-(4-methoxy-phenyl)-4,5-dih...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54657 (4-[3-(4-methoxyphenyl)-5-[3-(trifluoromethyl)pheny...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(F)(F)F |c:11| Show InChI InChI=1S/C23H20F3N3O3S/c1-32-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(13-16)23(24,25)26)28-29(22)18-7-11-20(12-8-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54606 (4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54663 (4-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54652 (4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Br)c1)c1ccccc1 |c:12| Show InChI InChI=1S/C21H18BrN3O2S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54646 (4-[3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N(C)C |c:11| Show InChI InChI=1S/C24H26N4O3S/c1-27(2)19-8-4-17(5-9-19)23-16-24(18-6-12-21(31-3)13-7-18)28(26-23)20-10-14-22(15-11-20)32(25,29)30/h4-15,24H,16H2,1-3H3,(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54638 (4-[3-(2-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54655 (4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihy...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(C)c1 |c:11| Show InChI InChI=1S/C23H23N3O3S/c1-16-4-3-5-18(14-16)22-15-23(17-6-10-20(29-2)11-7-17)26(25-22)19-8-12-21(13-9-19)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54654 (4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11| Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54637 (4-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:11| Show InChI InChI=1S/C22H20FN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54649 (4-[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...) Show SMILES COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11| Show InChI InChI=1S/C22H21N3O3S/c1-28-19-9-5-8-17(14-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-10-12-20(13-11-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54647 (4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54648 (4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-6-5-9-18(14-16)22-15-21(17-7-3-2-4-8-17)24-25(22)19-10-12-20(13-11-19)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54634 (4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54672 (4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihyd...) Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54586 (4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyr...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13| Show InChI InChI=1S/C23H23N3O4S/c1-29-22-13-8-17(14-23(22)30-2)21-15-20(16-6-4-3-5-7-16)25-26(21)18-9-11-19(12-10-18)31(24,27)28/h3-14,21H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54650 (4-[3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-2-pyraz...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1OC |c:11| Show InChI InChI=1S/C23H23N3O4S/c1-29-18-11-7-16(8-12-18)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)17-9-13-19(14-10-17)31(24,27)28/h3-14,22H,15H2,1-2H3,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54665 (4-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-19-9-5-4-8-18(19)21-14-20(15-6-2-1-3-7-15)24-25(21)16-10-12-17(13-11-16)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54660 (4-[3-(4-methoxyphenyl)-5-(3-thiophenyl)-3,4-dihydr...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccsc1 |c:11| Show InChI InChI=1S/C20H19N3O3S2/c1-26-17-6-2-14(3-7-17)20-12-19(15-10-11-27-13-15)22-23(20)16-4-8-18(9-5-16)28(21,24)25/h2-11,13,20H,12H2,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54670 (4-[3-(4-methoxyphenyl)-5-(3-pyridinyl)-3,4-dihydro...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccnc1 |c:11| Show InChI InChI=1S/C21H20N4O3S/c1-28-18-8-4-15(5-9-18)21-13-20(16-3-2-12-23-14-16)24-25(21)17-6-10-19(11-7-17)29(22,26)27/h2-12,14,21H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54653 (4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...) Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10| Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54622 (3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1 |c:13| Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54633 (4-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...) Show SMILES COc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11| Show InChI InChI=1S/C22H21N3O3S/c1-28-22-10-6-5-9-19(22)21-15-20(16-7-3-2-4-8-16)24-25(21)17-11-13-18(14-12-17)29(23,26)27/h2-14,21H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54603 (3-(4-methoxyphenyl)-1-phenyl-5-[2-(trifluoromethyl...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1 |t:9| Show InChI InChI=1S/C23H19F3N2O/c1-29-18-13-11-16(12-14-18)21-15-22(28(27-21)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24,25)26/h2-14,22H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair